canSAR283214
FEATURES
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NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(N)cc(N)[n+]3-c3ccc(O)cc3)CSC12)c1cnc(N)s1)C(=O)O
    InChI
    InChI=1S/C27H27N9O8S3/c1-27(2,24(42)43)44-34-17(14-8-31-25(30)47-14)20(38)33-18-21(39)36-19(23(40)41)11(9-45-22(18)36)10-46-26-32-15(28)7-16(29)35(26)12-3-5-13(37)6-4-12/h3-8,18,22H,9-10H2,1-2H3,(H9,28,29,30,31,33,34,37,38,40,41,42,43)/p+1
    MOLECULAR FORMULA
    C27H28N9O8S3+
    CROSS REFERENCES
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    canSAR283214
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight702.12
    AlogP0.38
    HBond donors10
    HBond acceptors17
    Atoms75
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR283214.